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CAS 62601-04-1 SODIUM BUTYRATE-1-13C molecular structure lightbox
CAS RN: 62601-04-1

SODIUM BUTYRATE-1-13C

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS62601-04-1
  • Purity/Analytical Methods: >99.0%
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62601-04-1 / sodium butanoate

Standard CAS: 62601-04-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62601-04-1
Multi CAS
Yes
Molecular Formula
C4H7NAO2
Molecular Weight
110.090000
Exact Mass
110.034374
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1/i4+1;
InChIKey
MFBOGIVSZKQAPD-VZHAHHFWSA-M

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
19.91
TPSA
40.13

LogP / Solubility

WLOGP
-3.46
MLOGP
-3.06
XLogP3
-3.46
Consensus LogP
-3.33
Log S (ESOL)
1.79
Class (ESOL)
Highly soluble
Log S (Ali)
2.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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